5-azanyl-2-[[2-[[6-azanyl-2-[[2-[[2-[2-[[2-[[2-[[6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-[[6-azanyl-2-[[2-[[2-[2-[[2-[[2-[[6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-valeric acid Formula: C63H103N21O13S MolecularWeight: 1394.68982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N

InChI

InChI=1S/C63H103N21O13S/c1-36(76-54(89)47(26-32-98-2)81-59(94)49(33-37-20-22-39(85)23-21-37)83-57(92)43(16-6-9-28-65)78-53(88)41(67)14-5-8-27-64)52(87)77-45(18-11-30-73-62(69)70)55(90)80-46(19-12-31-74-63(71)72)56(91)79-44(17-7-10-29-66)58(93)84-50(34-38-35-75-42-15-4-3-13-40(38)42)60(95)82-48(61(96)97)24-25-51(68)86/h3-4,13,15,20-23,35-36,41,43-50,75,85H,5-12,14,16-19,24-34,64-67H2,1-2H3,(H2,68,86)(H,76,89)(H,77,87)(H,78,88)(H,79,91)(H,80,90)(H,81,94)(H,82,95)(H,83,92)(H,84,93)(H,96,97)(H4,69,70,73)(H4,71,72,74)